Structure tuning of pyrazolylpyrrole derivatives as ERK inhibitors utilizing dual tools; 3D-QSAR and side-chain hopping Posted on July 17, 2015December 13, 2024 by Anonymous
Structure based inhibitor design targeting glycogen phosphorylase B. Virtual screening, synthesis, biochemical and biological assessment of novel N-acyl-‘-d-glucopyranosylamines Posted on July 17, 2015December 13, 2024 by Anonymous
Consensus Induced Fit Docking (cIFD): Methodology, validation, and application to the discovery of novel Crm1 inhibitors Posted on July 17, 2015December 13, 2024 by Anonymous
Sequence Selectivity of Macrolide-Induced Translational Attenuation Posted on July 17, 2015December 13, 2024 by Anonymous
Boosting virtual screening enrichments with data fusion: Coalescing hits from two-dimensional fingerprints, shape, and docking Posted on July 17, 2015December 13, 2024 by Anonymous
Additional disulfide bonds in insulin: Prediction, recombinant expression, receptor binding affinity, and stability Posted on May 1, 2015December 13, 2024 by Anonymous
Computational Tool for Fast In silico Evaluation of hERG K+ Channel Affinity Posted on February 15, 2015December 13, 2024 by Anonymous
Exploring Clotrimazole-based Pharmacophore: 3D-QSAR Studies and Synthesis of Novel Antiplasmodial Agents Posted on February 15, 2015December 13, 2024 by Anonymous
Large Scale Ab Initio Quantum Chemical Calculations on Biological Systems Posted on February 15, 2001December 13, 2024 by Anonymous